1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea

C20H16ClFN4O3 — CID 30859552

IUPAC1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29)
InChIKeyWAUUTWDLNGDRIH-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea

1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea (PubChem CID 30859552) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
PubChem CID30859552
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29)
InChIKeyWAUUTWDLNGDRIH-UHFFFAOYSA-N
XLogP3.16
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(2,4-dichlorophenyl)methyl]-N-(2,5-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7599310
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea (CID 30859552) is 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea is O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The InChIKey is WAUUTWDLNGDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29).
What are the key properties of 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea has a molecular weight of 414.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea is sourced from PubChem (CID 30859552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).